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Substance Name: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-
RN: 98519-39-2
InChIKey: NDNRJWWYXRNCTI-XJKSGUPXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O3

Molecular Weight

  • 299.3283
 
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Names and Synonyms

Synonyms

  • trans-1-((2-(2-Benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
  • trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethyl-1,3-dioxolan
  • trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethyl-1,3-dioxolan [German]

Systematic Name

  • 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-

Registry Numbers

CAS Registry Number

  • 98519-39-2

System Generated Number

  • 0098519392

Structure Descriptors

InChI

1S/C16H17N3O3/c1-2-13-8-20-16(22-13,9-19-11-17-10-18-19)15-7-12-5-3-4-6-14(12)21-15/h3-7,10-11,13H,2,8-9H2,1H3/t13-,16+/m0/s1

InChIKey

NDNRJWWYXRNCTI-XJKSGUPXSA-N

Smiles

CC[C@H]1CO[C@@](O1)(Cn2cncn2)c3cc4ccccc4o3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0130151,
rat LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0130151,